1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

C19H24F3N3O3 — CID 6487893

IUPAC1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H24F3N3O3/c20-19(21,22)14-6-2-3-7-15(14)23-17(27)24-18(8-4-1-5-9-18)16(26)25-10-12-28-13-11-25/h2-3,6-7H,1,4-5,8-13H2,(H2,23,24,27)
InChIKeyPXAFROSUNDQQJB-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.39
Rot. Bonds3

About 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 6487893) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID6487893
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Name1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H24F3N3O3/c20-19(21,22)14-6-2-3-7-15(14)23-17(27)24-18(8-4-1-5-9-18)16(26)25-10-12-28-13-11-25/h2-3,6-7H,1,4-5,8-13H2,(H2,23,24,27)
InChIKeyPXAFROSUNDQQJB-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 23648411
CID 23648411
CID 23648409
CID 23648409
CID 23648410
CID 23648410
CID 46889057
CID 46889057
CID 6487852
CID 6487852
CID 1296963
CID 1296963
CID 3230466
CID 3230466
CID 6487857
CID 6487857
CID 11270795
CID 11270795
CID 17298177
CID 17298177
CID 23729132
CID 23729132
CID 24945519
CID 24945519

Frequently Asked Questions

What is the IUPAC name of 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 6487893) is 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is PXAFROSUNDQQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c20-19(21,22)14-6-2-3-7-15(14)23-17(27)24-18(8-4-1-5-9-18)16(26)25-10-12-28-13-11-25/h2-3,6-7H,1,4-5,8-13H2,(H2,23,24,27).
What are the key properties of 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 399.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(morpholine-4-carbonyl)cyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 6487893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).